SCHEMBL373538

SCHEMBL373538

CCc1cccc(-c2[nH]c(N(C)c3ccc(C(N)=O)cc3)nc2C2=CC=C3OCOC3C2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 7/20 0.43
KDM4E B2RXH2 1/20 0.30
RIPK2 O43353 1/20 0.30
PRKD3 O94806 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
MAPK1 P28482 1/20 0.30
CYP2C19 P33261 1/20 0.30
ACVR1B P36896 1/20 0.30
TGFBR2 P37173 1/20 0.30
CSNK1A1 P48729 1/20 0.30
CSNK1D P48730 1/20 0.30
CSNK1E P49674 1/20 0.30
RPS6KA1 Q15418 1/20 0.30
CSNK1A1L Q8N752 1/20 0.30
HSD17B10 Q99714 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL373225 0.90 TGFBR1 (0.40) TGFBR1KDM4ERIPK2PRKD3ALDH1A1
SCHEMBL373456 0.86 TGFBR1 (0.41) TGFBR1
SCHEMBL373250 0.81 TGFBR1 (0.42) TGFBR1
SCHEMBL414478 0.78 TGFBR1 (0.69) TGFBR1KDM4ERIPK2PRKD3ALDH1A1
SCHEMBL416483 0.73 TGFBR1 (0.63) TGFBR1
SCHEMBL373274 0.73 TGFBR1 (0.68) TGFBR1RIPK2ACVR1BCSNK1A1CSNK1D
SCHEMBL373544 0.72 TGFBR1 (0.39) TGFBR1
SCHEMBL373361 0.71 TGFBR1 (0.67) TGFBR1KDM4ERIPK2PRKD3ALDH1A1
SCHEMBL373457 0.68 TGFBR1 (0.63) TGFBR1
SCHEMBL373251 0.67 TGFBR1 (0.65) TGFBR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8871744-B2 Compounds and methods for selectively targeting tumor-associated mucins B & G Partyers, LLC (US) 2014-10-28 US claimed
US-8871744-B2 Compounds and methods for selectively targeting tumor-associated mucins B & G Partyers, LLC (US) 2014-10-28 US disclosed
US-20120022016-A1 Compounds and methods for selectively targeting tumor-associated mucins B&G PARTNERS, LLC 2012-01-26 US disclosed
EP-2409708-A1 Compounds and methods for selectively targeting tumor-associated mucins B & G Partners, LLC (US) 2012-01-25 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120022016-A1 Compounds and methods for selectively targeting tumor-associated mucins MUC1, NEU4, ALK TGFBR1 1324/4885KDM4E 1438/4885RIPK2 2625/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.